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Search term: SRNQDIFNTQHJRA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{5-Ethyl-2-[(4-fluorobenzyl)sulfanyl]-4-oxo-1(4H)-pyrimidinyl}-N-[2-(1-piperidinyl)ethyl]-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide | C36H38F4N4O2S

2-{5-Ethyl-2-[(4-fluorobenzyl)sulfanyl]-4-oxo-1(4H)-pyrimidinyl}-N-[2-(1-piperidinyl)ethyl]-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide

  • Molecular FormulaC36H38F4N4O2S
  • Average mass666.771 Da
  • Monoisotopic mass666.265137 Da
  • ChemSpider ID8344149

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1(4H)-Pyrimidineacetamide, 5-ethyl-2-[[(4-fluorophenyl)methyl]thio]-4-oxo-N-[2-(1-piperidinyl)ethyl]-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
2-{5-Ethyl-2-[(4-fluorbenzyl)sulfanyl]-4-oxo-1(4H)-pyrimidinyl}-N-[2-(1-piperidinyl)ethyl]-N-{[4'-(trifluormethyl)-4-biphenylyl]methyl}acetamid [German] [ACD/IUPAC Name]
2-{5-Ethyl-2-[(4-fluorobenzyl)sulfanyl]-4-oxo-1(4H)-pyrimidinyl}-N-[2-(1-piperidinyl)ethyl]-N-{[4'-(trifluoromethyl)-4-biphenylyl]methyl}acetamide [ACD/IUPAC Name]
2-{5-Éthyl-2-[(4-fluorobenzyl)sulfanyl]-4-oxo-1(4H)-pyrimidinyl}-N-[2-(1-pipéridinyl)éthyl]-N-{[4'-(trifluorométhyl)-4-biphénylyl]méthyl}acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 744.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.9±35.7 °C
Index of Refraction: 1.594
Molar Refractivity: 180.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 229.49
ACD/KOC (pH 5.5): 284.68
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 9686.27
ACD/KOC (pH 7.4): 12015.53
Polar Surface Area: 82 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 530.5±7.0 cm3

Click to predict properties on the Chemicalize site


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